Protein Graph Library
☆1,184Jul 13, 2026Updated last week
Alternatives and similar repositories for graphein
Users that are interested in graphein are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆275Apr 27, 2025Updated last year
- ATOM3D: tasks on molecules in three dimensions☆319Mar 2, 2023Updated 3 years ago
- Listing of papers about machine learning for proteins.☆1,712May 31, 2024Updated 2 years ago
- Working with molecular structures in pandas DataFrames☆756May 22, 2026Updated last month
- Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2☆3,398Dec 16, 2025Updated 7 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆547Feb 19, 2025Updated last year
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆402Updated this week
- A powerful and flexible machine learning platform for drug discovery☆1,584Aug 12, 2024Updated last year
- Evolutionary Scale Modeling (esm): Pretrained language models for proteins☆4,166Feb 7, 2024Updated 2 years ago
- Versatile computational pipeline for processing protein structure data for deep learning applications.☆279Feb 14, 2024Updated 2 years ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,545May 2, 2025Updated last year
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆763Jun 19, 2024Updated 2 years ago
- Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science☆1,263Jul 13, 2025Updated last year
- A comprehensive library for computational molecular biology☆966Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- An all-atom protein structure dataset for machine learning.☆364Mar 16, 2024Updated 2 years ago
- A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)☆1,171Jun 10, 2024Updated 2 years ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆711Apr 21, 2026Updated 2 months ago
- Diffusion models of protein structure; trigonometry and attention are all you need!☆564Dec 12, 2023Updated 2 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆511Jun 21, 2026Updated 3 weeks ago
- List of papers about Proteins Design using Deep Learning☆1,949Updated this week
- Implementation for SE(3) diffusion model with application to protein backbone generation☆423Jul 3, 2023Updated 3 years ago
- A collection of *fold* tools☆304Aug 8, 2025Updated 11 months ago
- Making Protein folding accessible to all!☆2,838Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit a…☆1,316May 22, 2025Updated last year
- Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…☆739Dec 11, 2022Updated 3 years ago
- Standardized data set for machine learning of protein structure☆917Nov 18, 2020Updated 5 years ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆444Jul 5, 2026Updated 2 weeks ago
- Message Passing Neural Networks for Molecule Property Prediction☆2,405Updated this week
- Molecular Processing Made Easy.☆542May 20, 2026Updated 2 months ago
- ☆250May 22, 2023Updated 3 years ago
- Protein Ligand INteraction Dataset and Evaluation Resource☆299Updated this week
- Protein structure datasets for machine learning.☆115Apr 22, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A dependency-free cross-platform swiss army knife for PDB files.☆456Jun 10, 2026Updated last month
- PDBFixer fixes problems in PDB files☆664Mar 10, 2026Updated 4 months ago
- Python package for graph neural networks in chemistry and biology☆807Nov 1, 2023Updated 2 years ago
- MoleculeKit: Your favorite molecule manipulation kit☆237Updated this week
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆327Jun 13, 2025Updated last year
- Making Protein Design accessible to all via Google Colab!☆924Apr 6, 2026Updated 3 months ago
- De Novo Protein Design by Equivariantly Diffusing Oriented Residue Clouds☆188Apr 21, 2024Updated 2 years ago